Compound Detail
CHEMBL1765499
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc(N2CCN(C)CC2)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL1765499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVBGRESFEXAWSN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
5.78
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.42
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 53.0 | nM | 7.28 | Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO... | 21421318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21421318 | 10.1016/j.bmc.2011.02.031 | NON-PROTEIN TARGET | 6 |
| 21421318 | 10.1016/j.bmc.2011.02.031 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine